ethyl 2-[(4E)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
기본 정보
- CAS
608120-19-0- 표준 SMILES
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)C2c2ccc(C(C)C)cc2)cc1C- InChIKey
RVQDZCVNAXEABN-UHFFFAOYSA-N- 분자식
- C31H32N2O6S
- 평균 분자량
- 560.7 g/mol
- 단동위원소 질량
- 560.19810792
이름 및 식별자
- 우선 이름
- ethyl 2-[(4E)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(4E)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- 영어명
- ethyl 2-[3-[4-(allyloxy)-3-methylbenzoyl]-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- 분자식
- C31H32N2O6S
- 분자량
- 560.66
이름 및 동의어
ethyl 2-[3-[4-(allyloxy)-3-methylbenzoyl]-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylateAKOS001667787AKOS016055989ethyl 2-[(4E)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylateAF-399/417032195-Thiazolecarboxylic acid, 2-[2,5-dihydro-3-hydroxy-5-[4-(1-methylethyl)phenyl]-4-[3-methyl-4-(2-propen-1-yloxy)benzoyl]-2-oxo-1H-pyrrol-1-yl]-4-methyl-, ethyl ester
데이터베이스 식별자
- CAS
608120-19-0- PubChem CID
- 6274505
- EC Number
- 125-238-3
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 990
물리화학적 성질
- 끓는 점
- 698.7 · 698.7±65.0 °C(Predicted)
- 밀도
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
관련 반응
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